3-[5-[[1-(4-fluorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[[1-(4-fluorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[[1-(4-fluorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[[1-(4-fluorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C22H13FN2O6 MolecularWeight: 420.346823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H13FN2O6/c23-14-4-6-15(7-5-14)25-20(27)17(19(26)24-22(25)30)11-16-8-9-18(31-16)12-2-1-3-13(10-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)